V010-6824 Screening compound: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzene-1-sulfonamide

V010-6824 Screening compound: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzene-1-sulfonamide
V010-6824 Screening compound: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-6824
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V010-6824

Molecular Formula

C27H30FN3O5S (C27 H30 FN3 O5 S)

Compound Name

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzene-1-sulfonamide

IUPAC name

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzene-1-sulfonamide

SMILES

COc(ccc(S(NCCc(cc1)ccc1F)(=O)=O)c1)c1N(CC1)CCN1C(COc1ccccc1)=O

InChI

InChI=1S/C27H30FN3O5S/c1-35-26-12-11-24(37(33,34)29-14-13-21-7-9-22(28)10-8-21)19-25(26)30-15-17-31(18-16-30)27(32)20-36-23-5-3-2-4-6-23/h2-12,19,29H,13-18,20H2,1H3

InChI Key

RNEQUNMEWMOXMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950614

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-4.05

Polar Surface Area

76.048

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

V010-6824 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-6824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-6824?
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What is the minimum amount of V010-6824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-6824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-6824
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V010-6824 available by request